Ligand name: (1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol
PDB ligand accession: YGR
DrugBank: n/a
PubChem: 155510360
ChEMBL: CHEMBL4553146
InChI Key: HHDDKDPLFXIPBX-DLFZDVPBSA-N
SMILES: CN(C)CCC(c1cc(nc(c1)OC)OC)(C(c2cc3cc(ccc3nc2OC)Br)c4cc(nc(c4OC)OC)OC)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Quinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein A0R205

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8G0D	Download	Experimental	e8g0d31 e8g0d41 e8g0d61 e8g0d71 e8g0d71 e8g0d81 e8g0d91 e8g0d11 e8g0d31 e8g0d21	F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot
8G0C	Download	Experimental	e8g0c61 e8g0c71 e8g0c91 e8g0c11 e8g0c11 e8g0c21 e8g0c31 e8g0c41 e8g0c61 e8g0c51	F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot
8G0B	Download	Experimental	e8g0b11 e8g0b21 e8g0b41 e8g0b51 e8g0b51 e8g0b61 e8g0b61 e8g0b71 e8g0b71 e8g0b81 e8g0b81 e8g0b91 e8g0b11 e8g0b91	F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot
8G0E	Download	Experimental	e8g0e91 e8g0e11 e8g0e31 e8g0e41 e8g0e41 e8g0e51 e8g0e51 e8g0e61 e8g0e61 e8g0e71 e8g0e71 e8g0e81 e8g0e91 e8g0e81	F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C F1F0 ATP synthase subunit C	LigPlot